SCHEMBL4187573

SCHEMBL4187573

COc1ccc(-c2cncc(NCc3ccoc3)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.61
KCNH2 Q12809 1/20 0.46
ALPL P05186 3/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
CLK4 Q9HAZ1 2/20 0.41
BRAF P15056 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 3/20 0.40
FPR2 P25090 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIT P10721 2/20 0.39
DYRK1A Q13627 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4189065 0.85 ALDH1A1 (0.56) KCNH2CLK4KDM4EALDH1A1MAPT
SCHEMBL4187702 0.84 FYN (0.62) FYNKCNH2ALPLCLK4BRAF
SCHEMBL4192291 0.83 FYN (0.57) FYNKCNH2ALPLHDAC1CLK4
SCHEMBL4184437 0.81 ALPL (0.51) KCNH2ALPLCLK4KDM4EALDH1A1
SCHEMBL4147320 0.79 FYN (0.76) FYNKCNH2CLK4BRAFKDM4E
SCHEMBL4180512 0.79 KCNH2 (0.51) KCNH2CLK4KDM4EALDH1A1MAPT
SCHEMBL4139536 0.79 FYN (0.67) FYNKCNH2CLK4BRAFKDM4E
SCHEMBL1714099 0.78 ALPL (0.48) FYNKCNH2ALPLHDAC1HDAC2
SCHEMBL4189975 0.78 FYN (0.55) FYNKCNH2KDM4EALDH1A1MAPT
SCHEMBL4192123 0.78 FYN (0.67) FYNKCNH2HDAC1CLK4BRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US claimed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP claimed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US disclosed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP disclosed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 FYN 3292/4885KCNH2 3526/4885ALPL 1226/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885KCNH2 3526/4885ALPL 1226/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 FYN 3292/4885KCNH2 3526/4885ALPL 1226/4885
US-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA FYN 173/4885KCNH2 763/4885ALPL 2140/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.